SCHEMBL9596392

SCHEMBL9596392

N=C(NCc1ccccc1)c1cccn(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
BRD4 O60885 2/20 0.55
KDM4E B2RXH2 6/20 0.55
BRD2 P25440 1/20 0.54
BRD3 Q15059 1/20 0.54
BRDT Q58F21 1/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 2/20 0.54
VEGFA P15692 2/20 0.54
EGLN1 Q9GZT9 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 2/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9597407 1.00 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ABRD4
Hydrochloric Acid SCHEMBL9359822 0.99 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ABRD4
Hydrochloric Acid SCHEMBL9356197 0.99 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ABRD4
Hydrochloric Acid SCHEMBL9356502 0.92 BRD4 (0.60) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL9596710 0.90 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL9596784 0.90 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ABRD4
Hydrochloric Acid SCHEMBL9356509 0.89 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ABRD4
Hydrochloric Acid SCHEMBL9356571 0.89 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL9596601 0.89 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL9603241 0.89 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ABRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015056-A1 PYRIDONE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO claimed
WO-1993015056-A1 PYRIDONE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed